Cc1c(N(Cc2ccccc2)Cc2ccc(Oc3cccc(O)c3)cc2)cccc1[N+](=O)[O-]
SMILES: Cc1c(N(Cc2ccccc2)Cc2ccc(Oc3cccc(O)c3)cc2)cccc1[N+](=O)[O-]

Molecular Processing

Molecular formula
C27H24N2O4
Molecular weight
440.5
Exact mass
440.1736
XLogP
6.61
TPSA
75.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
128.79

Supplementary Information

詳細情報を取得中…

20 件の反応に参加